CID 17511960

4-(1-cyclopropyl-1h-1,2,3,4-tetrazol-5-yl)aniline

Structural Information

Molecular Formula
C10H11N5
SMILES
C1CC1N2C(=NN=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C10H11N5/c11-8-3-1-7(2-4-8)10-12-13-14-15(10)9-5-6-9/h1-4,9H,5-6,11H2
InChIKey
CBCHVBDISUGGOQ-UHFFFAOYSA-N
Compound name
4-(1-cyclopropyltetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10144 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 151.8
[M+Na]+ 224.09066 163.1
[M-H]- 200.09416 156.9
[M+NH4]+ 219.13526 162.1
[M+K]+ 240.06460 157.2
[M+H-H2O]+ 184.09870 142.0
[M+HCOO]- 246.09964 174.0
[M+CH3COO]- 260.11529 163.5
[M+Na-2H]- 222.07611 156.7
[M]+ 201.10089 152.2
[M]- 201.10199 152.2
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.