CID 137944880

Tert-butyl 10-aminodecanoate

Structural Information

Molecular Formula
C14H29NO2
SMILES
CC(C)(C)OC(=O)CCCCCCCCCN
InChI
InChI=1S/C14H29NO2/c1-14(2,3)17-13(16)11-9-7-5-4-6-8-10-12-15/h4-12,15H2,1-3H3
InChIKey
DLQZRHLBZJLSLC-UHFFFAOYSA-N
Compound name
tert-butyl 10-aminodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.21983 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 165.4
[M+Na]+ 266.20905 169.1
[M-H]- 242.21255 164.1
[M+NH4]+ 261.25365 182.7
[M+K]+ 282.18299 167.6
[M+H-H2O]+ 226.21709 159.6
[M+HCOO]- 288.21803 185.1
[M+CH3COO]- 302.23368 198.4
[M+Na-2H]- 264.19450 166.8
[M]+ 243.21928 168.8
[M]- 243.22038 168.8
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

patents stripe