CID 19030451

Tert-butyl 7-aminoheptanoate hydrochloride

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(C)(C)OC(=O)CCCCCCN
InChI
InChI=1S/C11H23NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9,12H2,1-3H3
InChIKey
IIALHJIMGXLAJI-UHFFFAOYSA-N
Compound name
tert-butyl 7-aminoheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

201.17288 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 151.6
[M+Na]+ 224.16210 156.6
[M-H]- 200.16560 150.9
[M+NH4]+ 219.20670 170.7
[M+K]+ 240.13604 155.9
[M+H-H2O]+ 184.17014 146.5
[M+HCOO]- 246.17108 172.4
[M+CH3COO]- 260.18673 189.3
[M+Na-2H]- 222.14755 154.6
[M]+ 201.17233 153.9
[M]- 201.17343 153.9
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

patents stripe