CID 57845712

N-[2-(tert-butoxy)ethyl]cyclopropanamine

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)OCCNC1CC1
InChI
InChI=1S/C9H19NO/c1-9(2,3)11-7-6-10-8-4-5-8/h8,10H,4-7H2,1-3H3
InChIKey
PTPWBTAUDLQZKV-UHFFFAOYSA-N
Compound name
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 136.4
[M+Na]+ 180.135888 144.0
[M-H]- 156.139394 140.9
[M+NH4]+ 175.180493 152.7
[M+K]+ 196.109828 142.5
[M+H-H2O]+ 140.143930 130.7
[M+HCOO]- 202.144871 159.4
[M+CH3COO]- 216.160521 184.4
[M+Na-2H]- 178.121336 143.4
[M]+ 157.14612142 140.1
[M]- 157.14721858 140.1
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

patents stripe