CID 11171011

Carbomethoxyformamidine hydrochloride

Structural Information

Molecular Formula
C3H6N2O2
SMILES
COC(=O)C(=N)N
InChI
InChI=1S/C3H6N2O2/c1-7-3(6)2(4)5/h1H3,(H3,4,5)
InChIKey
NCWIJHRUNYKYFA-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-iminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

102.04293 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 118.1
[M+Na]+ 125.03215 125.0
[M-H]- 101.03565 118.5
[M+NH4]+ 120.07675 140.2
[M+K]+ 141.00609 125.8
[M+H-H2O]+ 85.040190 113.2
[M+HCOO]- 147.04113 143.1
[M+CH3COO]- 161.05678 169.6
[M+Na-2H]- 123.01760 123.4
[M]+ 102.04238 115.5
[M]- 102.04348 115.5
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