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 154.3
[M+Na]+ 274.08300 168.3
[M+NH4]+ 269.12760 161.7
[M+K]+ 290.05694 163.1
[M-H]- 250.08650 156.7
[M+Na-2H]- 272.06845 162.6
[M]+ 251.09323 157.2
[M]- 251.09433 157.2
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.