CID 12444168

5-(chloromethyl)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CN1C(CCC1=O)CCl
InChI
InChI=1S/C6H10ClNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3
InChIKey
KSTOZNWYSSCMBN-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

147.04509 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05237 128.7
[M+Na]+ 170.03431 138.1
[M-H]- 146.03781 130.9
[M+NH4]+ 165.07891 151.6
[M+K]+ 186.00825 135.4
[M+H-H2O]+ 130.04235 123.9
[M+HCOO]- 192.04329 146.4
[M+CH3COO]- 206.05894 173.0
[M+Na-2H]- 168.01976 132.2
[M]+ 147.04454 128.9
[M]- 147.04564 128.9
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