CID 12444172

18912-61-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CCCN1C(=O)C
InChI
InChI=1S/C7H13NO/c1-6-4-3-5-8(6)7(2)9/h6H,3-5H2,1-2H3
InChIKey
YPWKAZSHYHFTIW-UHFFFAOYSA-N
Compound name
1-(2-methylpyrrolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

238
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.4
[M+Na]+ 150.08894 134.6
[M-H]- 126.09244 129.5
[M+NH4]+ 145.13354 150.2
[M+K]+ 166.06288 134.3
[M+H-H2O]+ 110.09698 121.9
[M+HCOO]- 172.09792 148.6
[M+CH3COO]- 186.11357 171.2
[M+Na-2H]- 148.07439 130.4
[M]+ 127.09917 125.3
[M]- 127.10027 125.3
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