CID 11321251

Tert-butyl n-(1-aminopropan-2-yl)carbamate

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CC(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)
InChIKey
JQXZBJAAOLPTKP-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-aminopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

174.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 142.1
[M+Na]+ 197.12605 147.2
[M-H]- 173.12955 141.9
[M+NH4]+ 192.17065 161.7
[M+K]+ 213.09999 147.8
[M+H-H2O]+ 157.13409 137.0
[M+HCOO]- 219.13503 163.8
[M+CH3COO]- 233.15068 185.4
[M+Na-2H]- 195.11150 145.5
[M]+ 174.13628 141.5
[M]- 174.13738 141.5
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

patents stripe