CID 46863477

1-[(2s)-pyrrolidin-2-yl]propan-1-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C7H13NO/c1-2-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKey
VZOCHZFQIYOLNB-LURJTMIESA-N
Compound name
1-[(2S)-pyrrolidin-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

127.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 129.0
[M+Na]+ 150.08894 134.6
[M-H]- 126.09244 129.2
[M+NH4]+ 145.13354 150.5
[M+K]+ 166.06288 133.4
[M+H-H2O]+ 110.09698 123.2
[M+HCOO]- 172.09792 148.5
[M+CH3COO]- 186.11357 168.1
[M+Na-2H]- 148.07439 132.0
[M]+ 127.09917 124.6
[M]- 127.10027 124.6
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