CID 216094

37096-80-3

Structural Information

Molecular Formula
C14H29NO
SMILES
CC(CCCC(C)(C)O)N1CCCCCC1
InChI
InChI=1S/C14H29NO/c1-13(9-8-10-14(2,3)16)15-11-6-4-5-7-12-15/h13,16H,4-12H2,1-3H3
InChIKey
AUUQQEYJIBJJDU-UHFFFAOYSA-N
Compound name
6-(azepan-1-yl)-2-methylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.22491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.232186 152.7
[M+Na]+ 250.214128 153.0
[M-H]- 226.217634 153.0
[M+NH4]+ 245.258733 167.5
[M+K]+ 266.188068 155.5
[M+H-H2O]+ 210.222170 146.4
[M+HCOO]- 272.223111 165.8
[M+CH3COO]- 286.238761 192.0
[M+Na-2H]- 248.199576 154.4
[M]+ 227.22436142 146.2
[M]- 227.22545858 146.2
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

No patent data available for this compound.