CID 203374

14241-13-5

Structural Information

Molecular Formula
C14H29NO
SMILES
CCCCC1(C(C(C1O)(C)C)N(C)C)CC
InChI
InChI=1S/C14H29NO/c1-7-9-10-14(8-2)11(15(5)6)13(3,4)12(14)16/h11-12,16H,7-10H2,1-6H3
InChIKey
VEQUOQRRYHGBHZ-UHFFFAOYSA-N
Compound name
2-butyl-3-(dimethylamino)-2-ethyl-4,4-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.22491 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.232186 159.3
[M+Na]+ 250.214128 164.7
[M-H]- 226.217634 163.1
[M+NH4]+ 245.258733 175.5
[M+K]+ 266.188068 166.6
[M+H-H2O]+ 210.222170 151.4
[M+HCOO]- 272.223111 178.7
[M+CH3COO]- 286.238761 202.5
[M+Na-2H]- 248.199576 161.0
[M]+ 227.22436142 170.8
[M]- 227.22545858 170.8
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.