CID 84049660

2-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC1)CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-11(4-5-11)6-8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
XHYKUPXTKLTOHH-UHFFFAOYSA-N
Compound name
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

229.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 154.5
[M+Na]+ 252.12063 162.6
[M+NH4]+ 247.16523 161.6
[M+K]+ 268.09457 159.8
[M-H]- 228.12413 159.7
[M+Na-2H]- 250.10608 160.2
[M]+ 229.13086 158.0
[M]- 229.13196 158.0
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