CID 21414195

3-(3-methylbutoxy)propan-1-amine

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)CCOCCCN
InChI
InChI=1S/C8H19NO/c1-8(2)4-7-10-6-3-5-9/h8H,3-7,9H2,1-2H3
InChIKey
NZMUWHNIWFMBNW-UHFFFAOYSA-N
Compound name
3-(3-methylbutoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 134.3
[M+Na]+ 168.13589 143.1
[M+NH4]+ 163.18049 142.0
[M+K]+ 184.10983 137.6
[M-H]- 144.13939 134.2
[M+Na-2H]- 166.12134 137.4
[M]+ 145.14612 135.2
[M]- 145.14722 135.2
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