CID 2947542

2-[(4-tert-butylcyclohexyl)amino]butan-1-ol

Structural Information

Molecular Formula
C14H29NO
SMILES
CCC(CO)NC1CCC(CC1)C(C)(C)C
InChI
InChI=1S/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKey
SGGLIDLFSHTYNW-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylcyclohexyl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.22491 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.232186 159.5
[M+Na]+ 250.214128 161.6
[M-H]- 226.217634 160.3
[M+NH4]+ 245.258733 176.8
[M+K]+ 266.188068 159.7
[M+H-H2O]+ 210.222170 153.9
[M+HCOO]- 272.223111 175.2
[M+CH3COO]- 286.238761 193.5
[M+Na-2H]- 248.199576 160.7
[M]+ 227.22436142 154.9
[M]- 227.22545858 154.9
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.