CID 3074498

2h-tetrazole-2-ethanamine, 5-(4-chlorophenyl)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C11H14ClN5
SMILES
CN(C)CCN1N=C(N=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClN5/c1-16(2)7-8-17-14-11(13-15-17)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
ZKZDMAZPWAQGCE-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10106 155.4
[M+Na]+ 274.08300 165.0
[M-H]- 250.08650 158.2
[M+NH4]+ 269.12760 170.1
[M+K]+ 290.05694 160.9
[M+H-H2O]+ 234.09104 145.0
[M+HCOO]- 296.09198 172.8
[M+CH3COO]- 310.10763 198.2
[M+Na-2H]- 272.06845 160.1
[M]+ 251.09323 159.3
[M]- 251.09433 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.