CID 13789242

(1-methyl-1h-1,2,3,4-tetrazol-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C3H7N5
SMILES
CN1C(=NN=N1)CN
InChI
InChI=1S/C3H7N5/c1-8-3(2-4)5-6-7-8/h2,4H2,1H3
InChIKey
SQVYHZOAHYEQME-UHFFFAOYSA-N
Compound name
(1-methyltetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

113.070145 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07742 120.7
[M+Na]+ 136.05936 130.8
[M-H]- 112.06287 119.1
[M+NH4]+ 131.10397 139.5
[M+K]+ 152.03330 129.8
[M+H-H2O]+ 96.067405 112.5
[M+HCOO]- 158.06835 143.0
[M+CH3COO]- 172.08400 169.9
[M+Na-2H]- 134.04481 128.1
[M]+ 113.06960 119.8
[M]- 113.07069 119.8
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

patents stripe