CID 45072491

Tert-butyl n-[(2r)-2-aminopropyl]carbamate

Structural Information

Molecular Formula
C8H18N2O2
SMILES
C[C@H](CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKey
UYNSYFDLTSSUNI-ZCFIWIBFSA-N
Compound name
tert-butyl N-[(2R)-2-aminopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

174.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.144106 142.1
[M+Na]+ 197.126048 147.2
[M-H]- 173.129554 141.9
[M+NH4]+ 192.170653 161.7
[M+K]+ 213.099988 147.8
[M+H-H2O]+ 157.134090 137.0
[M+HCOO]- 219.135031 163.8
[M+CH3COO]- 233.150681 185.4
[M+Na-2H]- 195.111496 145.5
[M]+ 174.13628142 141.5
[M]- 174.13737858 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