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]+ 158.15395 136.4
[M+Na]+ 180.13589 144.0
[M-H]- 156.13939 140.9
[M+NH4]+ 175.18049 152.7
[M+K]+ 196.10983 142.5
[M+H-H2O]+ 140.14393 130.7
[M+HCOO]- 202.14487 159.4
[M+CH3COO]- 216.16052 184.4
[M+Na-2H]- 178.12134 143.4
[M]+ 157.14612 140.1
[M]- 157.14722 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