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]+ 188.13936 144.2
[M+Na]+ 210.12130 148.7
[M-H]- 186.12480 144.0
[M+NH4]+ 205.16590 162.8
[M+K]+ 226.09524 148.7
[M+H-H2O]+ 170.12934 138.6
[M+HCOO]- 232.13028 167.1
[M+CH3COO]- 246.14593 189.6
[M+Na-2H]- 208.10675 147.9
[M]+ 187.13153 142.1
[M]- 187.13263 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.