CID 82652491

2411242-10-7

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C2CCCN2C(=N1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-5-6-3-2-4-10(6)7(9-5)8(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
YISULTLGXKXHFC-UHFFFAOYSA-N
Compound name
1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.7
[M+Na]+ 189.063448 144.0
[M-H]- 165.066954 135.9
[M+NH4]+ 184.108053 156.7
[M+K]+ 205.037388 142.2
[M+H-H2O]+ 149.071490 128.8
[M+HCOO]- 211.072431 155.0
[M+CH3COO]- 225.088081 175.6
[M+Na-2H]- 187.048896 137.3
[M]+ 166.07368142 134.6
[M]- 166.07477858 134.6
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

No patent data available for this compound.