CID 18947920

146394-99-2

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)NC/C=C/CN
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4+
InChIKey
BWNIUPOJWUXWMX-SNAWJCMRSA-N
Compound name
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

186.13683 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 145.2
[M+Na]+ 209.126048 150.5
[M-H]- 185.129554 144.8
[M+NH4]+ 204.170653 164.4
[M+K]+ 225.099988 149.7
[M+H-H2O]+ 169.134090 139.9
[M+HCOO]- 231.135031 167.8
[M+CH3COO]- 245.150681 185.9
[M+Na-2H]- 207.111496 149.4
[M]+ 186.13628142 144.9
[M]- 186.13737858 144.9
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