CID 24730316

862372-66-5

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)N
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6,11H2,1-3H3,(H,13,14)
InChIKey
RBVXSBGDNJDEIF-UHFFFAOYSA-N
Compound name
3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

230.12666 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 151.5
[M+Na]+ 253.11588 157.3
[M-H]- 229.11938 151.9
[M+NH4]+ 248.16048 170.7
[M+K]+ 269.08982 157.1
[M+H-H2O]+ 213.12392 147.1
[M+HCOO]- 275.12486 168.9
[M+CH3COO]- 289.14051 186.8
[M+Na-2H]- 251.10133 153.5
[M]+ 230.12611 149.6
[M]- 230.12721 149.6
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

patents stripe