CID 12715858

2172503-23-8

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CC(C)(C)OC(=O)NCCC(=N)N
InChI
InChI=1S/C8H17N3O2/c1-8(2,3)13-7(12)11-5-4-6(9)10/h4-5H2,1-3H3,(H3,9,10)(H,11,12)
InChIKey
MICJHJDLTXMUOE-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-3-iminopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.139356 144.2
[M+Na]+ 210.121298 148.7
[M-H]- 186.124804 144.0
[M+NH4]+ 205.165903 162.8
[M+K]+ 226.095238 148.7
[M+H-H2O]+ 170.129340 138.6
[M+HCOO]- 232.130281 167.1
[M+CH3COO]- 246.145931 189.6
[M+Na-2H]- 208.106746 147.9
[M]+ 187.13153142 142.1
[M]- 187.13262858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.