CID 12313545

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

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(CC1CCCN1)O
InChI
InChI=1S/C7H15NO/c1-6(9)5-7-3-2-4-8-7/h6-9H,2-5H2,1H3
InChIKey
YNOPDCKXNICFQS-UHFFFAOYSA-N
Compound name
1-pyrrolidin-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 131.0
[M+Na]+ 152.104588 135.9
[M-H]- 128.108094 129.7
[M+NH4]+ 147.149193 151.8
[M+K]+ 168.078528 134.3
[M+H-H2O]+ 112.112630 125.3
[M+HCOO]- 174.113571 148.8
[M+CH3COO]- 188.129221 166.3
[M+Na-2H]- 150.090036 133.5
[M]+ 129.11482142 125.4
[M]- 129.11591858 125.4
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