CID 854070

(r)-(+)-1-boc-3-aminopyrrolidine

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKey
CMIBWIAICVBURI-SSDOTTSWSA-N
Compound name
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6680
Patents

186.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.2
[M+Na]+ 209.12605 150.1
[M-H]- 185.12955 145.7
[M+NH4]+ 204.17065 164.1
[M+K]+ 225.09999 149.7
[M+H-H2O]+ 169.13409 138.4
[M+HCOO]- 231.13503 163.7
[M+CH3COO]- 245.15068 182.4
[M+Na-2H]- 207.11150 146.3
[M]+ 186.13628 141.8
[M]- 186.13738 141.8
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