CID 102712

3-(2,5-dimethylpyrrolidin-1-yl)propan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1CCC(N1CCCO)C
InChI
InChI=1S/C9H19NO/c1-8-4-5-9(2)10(8)6-3-7-11/h8-9,11H,3-7H2,1-2H3
InChIKey
NAXTXBAUPVGPMV-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrrolidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.7
[M+Na]+ 180.135888 144.4
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 158.9
[M+K]+ 196.109828 142.7
[M+H-H2O]+ 140.143930 132.1
[M+HCOO]- 202.144871 157.4
[M+CH3COO]- 216.160521 176.5
[M+Na-2H]- 178.121336 139.6
[M]+ 157.14612142 136.2
[M]- 157.14721858 136.2
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