CID 440933

Hygrine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=O)C[C@H]1CCCN1C
InChI
InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKey
ADKXZIOQKHHDNQ-MRVPVSSYSA-N
Compound name
1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

269
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.9
[M+Na]+ 164.10459 138.5
[M-H]- 140.10809 133.7
[M+NH4]+ 159.14919 154.0
[M+K]+ 180.07853 137.9
[M+H-H2O]+ 124.11263 126.1
[M+HCOO]- 186.11357 152.7
[M+CH3COO]- 200.12922 174.9
[M+Na-2H]- 162.09004 134.3
[M]+ 141.11482 130.2
[M]- 141.11592 130.2
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