CID 61430621

2174008-05-8

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)NCCCC(=N)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12-6-4-5-7(10)11/h4-6H2,1-3H3,(H3,10,11)(H,12,13)
InChIKey
XXISVYRSBDNLOV-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-4-iminobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.14772 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 148.7
[M+Na]+ 224.136938 152.8
[M-H]- 200.140444 148.3
[M+NH4]+ 219.181543 166.8
[M+K]+ 240.110878 152.6
[M+H-H2O]+ 184.144980 142.9
[M+HCOO]- 246.145921 171.3
[M+CH3COO]- 260.161571 192.7
[M+Na-2H]- 222.122386 151.9
[M]+ 201.14717142 147.0
[M]- 201.14826858 147.0
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.