CID 130606001

1936671-99-6

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)NC
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-5-10(6-12,11-4)7(13)14/h11H,5-6H2,1-4H3,(H,13,14)
InChIKey
CATAUGUHAMPFFZ-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12666 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 156.6
[M+Na]+ 253.11588 160.6
[M-H]- 229.11938 157.3
[M+NH4]+ 248.16048 167.7
[M+K]+ 269.08982 164.1
[M+H-H2O]+ 213.12392 146.4
[M+HCOO]- 275.12486 173.0
[M+CH3COO]- 289.14051 192.4
[M+Na-2H]- 251.10133 159.5
[M]+ 230.12611 165.6
[M]- 230.12721 165.6
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

No patent data available for this compound.