CID 71757782

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

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1(CCCN1)CCCO
InChI
InChI=1S/C8H17NO/c1-8(5-3-7-10)4-2-6-9-8/h9-10H,2-7H2,1H3
InChIKey
URVMAVWYKUWGMW-UHFFFAOYSA-N
Compound name
3-(2-methylpyrrolidin-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.1
[M+Na]+ 166.12023 139.8
[M-H]- 142.12373 132.9
[M+NH4]+ 161.16483 156.5
[M+K]+ 182.09417 137.6
[M+H-H2O]+ 126.12827 129.1
[M+HCOO]- 188.12921 152.6
[M+CH3COO]- 202.14486 168.1
[M+Na-2H]- 164.10568 138.5
[M]+ 143.13046 129.8
[M]- 143.13156 129.8
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.