CID 22309148

3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-10(7(13)14)4-5-11-6-10/h11H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
YYLURLWWCZBOQG-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 152.7
[M+Na]+ 253.11588 157.1
[M-H]- 229.11938 151.8
[M+NH4]+ 248.16048 171.1
[M+K]+ 269.08982 156.4
[M+H-H2O]+ 213.12392 148.0
[M+HCOO]- 275.12486 169.2
[M+CH3COO]- 289.14051 183.7
[M+Na-2H]- 251.10133 155.7
[M]+ 230.12611 149.5
[M]- 230.12721 149.5
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