CID 59436426

220060-17-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
C[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-8-6-7-12(13,4)9(14)16-5/h6-8H2,1-5H3/t12-/m0/s1
InChIKey
KXFNLDIOHLDSJA-LBPRGKRZSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

243.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.3
[M+Na]+ 266.13628 161.8
[M-H]- 242.13978 157.5
[M+NH4]+ 261.18088 175.6
[M+K]+ 282.11022 162.4
[M+H-H2O]+ 226.14432 150.9
[M+HCOO]- 288.14526 173.3
[M+CH3COO]- 302.16091 190.2
[M+Na-2H]- 264.12173 157.5
[M]+ 243.14651 157.9
[M]- 243.14761 157.9
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