CID 216097

37096-93-8

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]+ 200.20090 152.8
[M+Na]+ 222.18284 156.4
[M-H]- 198.18634 152.4
[M+NH4]+ 217.22744 171.7
[M+K]+ 238.15678 154.9
[M+H-H2O]+ 182.19088 146.8
[M+HCOO]- 244.19182 168.9
[M+CH3COO]- 258.20747 184.4
[M+Na-2H]- 220.16829 154.0
[M]+ 199.19307 150.5
[M]- 199.19417 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.