CID 15408230

3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-8(2)12(7-6-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKey
KKIAMBQPKZBCIZ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

231.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.3
[M+Na]+ 254.136278 158.9
[M-H]- 230.139784 154.4
[M+NH4]+ 249.180883 172.1
[M+K]+ 270.110218 160.5
[M+H-H2O]+ 214.144320 149.3
[M+HCOO]- 276.145261 173.5
[M+CH3COO]- 290.160911 195.1
[M+Na-2H]- 252.121726 155.1
[M]+ 231.14651142 157.8
[M]- 231.14760858 157.8
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