CID 85083

Boc-l-proline

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
ZQEBQGAAWMOMAI-ZETCQYMHSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

10926
Patents

215.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 148.8
[M+Na]+ 238.10497 154.6
[M-H]- 214.10847 149.5
[M+NH4]+ 233.14957 167.2
[M+K]+ 254.07891 154.5
[M+H-H2O]+ 198.11301 143.6
[M+HCOO]- 260.11395 165.8
[M+CH3COO]- 274.12960 182.8
[M+Na-2H]- 236.09042 149.8
[M]+ 215.11520 148.3
[M]- 215.11630 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe