CID 43655163

2-{[(tert-butoxy)carbonyl](cyclopropylmethyl)amino}acetic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N(CC1CC1)CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)6-8-4-5-8/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
KNPPPZVDRMFWMS-UHFFFAOYSA-N
Compound name
2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 151.5
[M+Na]+ 252.12063 158.1
[M-H]- 228.12413 155.8
[M+NH4]+ 247.16523 164.6
[M+K]+ 268.09457 157.2
[M+H-H2O]+ 212.12867 145.8
[M+HCOO]- 274.12961 172.0
[M+CH3COO]- 288.14526 195.4
[M+Na-2H]- 250.10608 154.3
[M]+ 229.13086 157.0
[M]- 229.13196 157.0
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