CID 10855479

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

Structural Information

Molecular Formula
C7H15NO
SMILES
C1C[C@H](NC1)CCCO
InChI
InChI=1S/C7H15NO/c9-6-2-4-7-3-1-5-8-7/h7-9H,1-6H2/t7-/m0/s1
InChIKey
JAAFQZNROQTUIW-ZETCQYMHSA-N
Compound name
3-[(2S)-pyrrolidin-2-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.