CID 11672725

Methyl n-(4-methylpyridin-3-yl)carbamate hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C=NC=C1)NC(=O)OC
InChI
InChI=1S/C8H10N2O2/c1-6-3-4-9-5-7(6)10-8(11)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey
FTEFYIXMXZZAGN-UHFFFAOYSA-N
Compound name
methyl N-(4-methyl-3-pyridinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

166.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.4
[M+Na]+ 189.063448 141.4
[M-H]- 165.066954 136.1
[M+NH4]+ 184.108053 152.6
[M+K]+ 205.037388 140.5
[M+H-H2O]+ 149.071490 126.7
[M+HCOO]- 211.072431 157.8
[M+CH3COO]- 225.088081 179.5
[M+Na-2H]- 187.048896 140.6
[M]+ 166.07368142 134.5
[M]- 166.07477858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe