CID 13029331

3-(pyrrolidin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC(NC1)CCCO
InChI
InChI=1S/C7H15NO/c9-6-2-4-7-3-1-5-8-7/h7-9H,1-6H2
InChIKey
JAAFQZNROQTUIW-UHFFFAOYSA-N
Compound name
3-pyrrolidin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 130.3
[M+Na]+ 152.10459 135.4
[M-H]- 128.10809 128.9
[M+NH4]+ 147.14919 151.1
[M+K]+ 168.07853 133.4
[M+H-H2O]+ 112.11263 124.5
[M+HCOO]- 174.11357 149.1
[M+CH3COO]- 188.12922 165.5
[M+Na-2H]- 150.09004 134.0
[M]+ 129.11482 125.3
[M]- 129.11592 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