CID 216097

2-methyl-6-(pyrrolidin-1-yl)heptan-2-ol

Structural Information

Molecular Formula
C12H25NO
SMILES
CC(CCCC(C)(C)O)N1CCCC1
InChI
InChI=1S/C12H25NO/c1-11(13-9-4-5-10-13)7-6-8-12(2,3)14/h11,14H,4-10H2,1-3H3
InChIKey
YJEXLVQMCUHSKZ-UHFFFAOYSA-N
Compound name
2-methyl-6-pyrrolidin-1-ylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 152.8
[M+Na]+ 222.182838 156.4
[M-H]- 198.186344 152.4
[M+NH4]+ 217.227443 171.7
[M+K]+ 238.156778 154.9
[M+H-H2O]+ 182.190880 146.8
[M+HCOO]- 244.191821 168.9
[M+CH3COO]- 258.207471 184.4
[M+Na-2H]- 220.168286 154.0
[M]+ 199.19307142 150.5
[M]- 199.19416858 150.5
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

No patent data available for this compound.