CID 1514396

(3s)-(-)-3-(tert-butoxycarbonylamino)pyrrolidine

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1CCNC1
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKey
DQQJBEAXSOOCPG-ZETCQYMHSA-N
Compound name
tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7889
Patents

186.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.9
[M+Na]+ 209.12605 149.4
[M-H]- 185.12955 145.1
[M+NH4]+ 204.17065 164.0
[M+K]+ 225.09999 148.5
[M+H-H2O]+ 169.13409 138.9
[M+HCOO]- 231.13503 163.5
[M+CH3COO]- 245.15068 179.3
[M+Na-2H]- 207.11150 148.2
[M]+ 186.13628 141.2
[M]- 186.13738 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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