CID 558401

(2-methylpyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCCN1)CO
InChI
InChI=1S/C6H13NO/c1-6(5-8)3-2-4-7-6/h7-8H,2-5H2,1H3
InChIKey
BJOWRJDUPYOCEU-UHFFFAOYSA-N
Compound name
(2-methylpyrrolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.1
[M+Na]+ 138.088938 131.7
[M-H]- 114.092444 124.4
[M+NH4]+ 133.133543 148.6
[M+K]+ 154.062878 130.1
[M+H-H2O]+ 98.096980 120.5
[M+HCOO]- 160.097921 144.4
[M+CH3COO]- 174.113571 162.0
[M+Na-2H]- 136.074386 130.7
[M]+ 115.09917142 120.2
[M]- 115.10026858 120.2
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