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

129
Patents

113.070145 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 120.7
[M+Na]+ 136.059363 129.4
[M-H]- 112.062869 117.9
[M+NH4]+ 131.103968 138.7
[M+K]+ 152.033303 127.9
[M+H-H2O]+ 96.067405 112.4
[M+HCOO]- 158.068346 142.2
[M+CH3COO]- 172.083996 166.9
[M+Na-2H]- 134.044811 129.4
[M]+ 113.06959642 118.6
[M]- 113.07069358 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