CID 533866

2-(propan-2-yloxy)ethan-1-amine

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(C)OCCN
InChI
InChI=1S/C5H13NO/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
InChIKey
USECIYVEPXUVHT-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1274
Patents

103.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.4
[M+Na]+ 126.08894 129.0
[M-H]- 102.09244 122.4
[M+NH4]+ 121.13354 145.2
[M+K]+ 142.06288 129.6
[M+H-H2O]+ 86.096980 117.8
[M+HCOO]- 148.09792 146.2
[M+CH3COO]- 162.11357 171.0
[M+Na-2H]- 124.07439 127.9
[M]+ 103.09917 122.3
[M]- 103.10027 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe