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

17
Patents

145.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 136.4
[M+Na]+ 168.135888 141.6
[M-H]- 144.139394 135.7
[M+NH4]+ 163.180493 157.4
[M+K]+ 184.109828 141.4
[M+H-H2O]+ 128.143930 131.1
[M+HCOO]- 190.144871 159.1
[M+CH3COO]- 204.160521 180.2
[M+Na-2H]- 166.121336 140.2
[M]+ 145.14612142 137.3
[M]- 145.14721858 137.3
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