CID 110782519

1693562-78-5

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CN1C=CC(=C1)CNC(=O)OC
InChI
InChI=1S/C8H12N2O2/c1-10-4-3-7(6-10)5-9-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKey
XPLBGMIJIIDMKM-UHFFFAOYSA-N
Compound name
methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.4
[M+Na]+ 191.07909 143.2
[M-H]- 167.08259 138.0
[M+NH4]+ 186.12369 156.3
[M+K]+ 207.05303 142.6
[M+H-H2O]+ 151.08713 128.9
[M+HCOO]- 213.08807 160.4
[M+CH3COO]- 227.10372 179.6
[M+Na-2H]- 189.06454 140.2
[M]+ 168.08932 137.1
[M]- 168.09042 137.1
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

No patent data available for this compound.