CID 10942938

Tert-butyl n-(carbamimidoylmethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CC(C)(C)OC(=O)NCC(=N)N
InChI
InChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)
InChIKey
SWBZVFFQFKRUQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-iminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

173.11642 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 139.7
[M+Na]+ 196.10564 144.6
[M-H]- 172.10914 139.6
[M+NH4]+ 191.15024 158.8
[M+K]+ 212.07958 144.8
[M+H-H2O]+ 156.11368 134.2
[M+HCOO]- 218.11462 162.8
[M+CH3COO]- 232.13027 186.6
[M+Na-2H]- 194.09109 143.9
[M]+ 173.11587 137.2
[M]- 173.11697 137.2
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