CID 295970

(1-methylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CN1CCC(C1)CO
InChI
InChI=1S/C6H13NO/c1-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKey
NPWMWLAPRVMNBN-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

642
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.5
[M+Na]+ 138.08894 131.5
[M-H]- 114.09244 125.1
[M+NH4]+ 133.13354 147.0
[M+K]+ 154.06288 130.6
[M+H-H2O]+ 98.096980 119.0
[M+HCOO]- 160.09792 145.2
[M+CH3COO]- 174.11357 166.2
[M+Na-2H]- 136.07439 128.7
[M]+ 115.09917 121.5
[M]- 115.10027 121.5
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

patents stripe