CID 62613220

2-{[2-(hydroxymethyl)pyrrolidin-1-yl]methyl}cycloheptan-1-one hydrochloride

Structural Information

Molecular Formula
C13H23NO2
SMILES
C1CCC(C(=O)CC1)CN2CCCC2CO
InChI
InChI=1S/C13H23NO2/c15-10-12-6-4-8-14(12)9-11-5-2-1-3-7-13(11)16/h11-12,15H,1-10H2
InChIKey
HOETYDLHHVSXHM-UHFFFAOYSA-N
Compound name
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17288 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 152.1
[M+Na]+ 248.16210 153.8
[M-H]- 224.16560 155.7
[M+NH4]+ 243.20670 168.3
[M+K]+ 264.13604 154.6
[M+H-H2O]+ 208.17014 144.9
[M+HCOO]- 270.17108 167.4
[M+CH3COO]- 284.18673 187.8
[M+Na-2H]- 246.14755 151.1
[M]+ 225.17233 143.0
[M]- 225.17343 143.0
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.