CID 20577387

1249673-88-8

Structural Information

Molecular Formula
C3H7N5
SMILES
CNCC1=NNN=N1
InChI
InChI=1S/C3H7N5/c1-4-2-3-5-7-8-6-3/h4H,2H2,1H3,(H,5,6,7,8)
InChIKey
VRVRXSMTHQDPMY-UHFFFAOYSA-N
Compound name
N-methyl-1-(2H-tetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

113.070145 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07742 120.7
[M+Na]+ 136.05936 129.4
[M-H]- 112.06287 117.9
[M+NH4]+ 131.10397 138.7
[M+K]+ 152.03330 127.9
[M+H-H2O]+ 96.067405 112.4
[M+HCOO]- 158.06835 142.2
[M+CH3COO]- 172.08400 166.9
[M+Na-2H]- 134.04481 129.4
[M]+ 113.06960 118.6
[M]- 113.07069 118.6
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