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]+ 228.23219 159.5
[M+Na]+ 250.21413 161.6
[M-H]- 226.21763 160.3
[M+NH4]+ 245.25873 176.8
[M+K]+ 266.18807 159.7
[M+H-H2O]+ 210.22217 153.9
[M+HCOO]- 272.22311 175.2
[M+CH3COO]- 286.23876 193.5
[M+Na-2H]- 248.19958 160.7
[M]+ 227.22436 154.9
[M]- 227.22546 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.